Cicloxolone

10-(2-carboxycyclohexanecarbonyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

Also Known As: Cicloxolone|10-(2-carboxycyclohexanecarbonyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid|(2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-[(1R,2S)-2-carboxycycl|3-hydroxy-11-oxoolean-12-en-30-oic acid 1,2-cyclohexanedicarboxylate|Olean-12-en-29-oic acid, 3-[(1R,2S)-2-carboxycyclohexyl-carbonyl]oxy-11-oxo-, (3.beta.,20.beta.)-

Molecular Formula	C38H56O7
Molecular Weight	624.4026 g/mol
LogP	8.1
Topological Polar Surface Area	118.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	624.4026
Monoisotopic Mass	624.4026
Heavy Atoms	45
Complexity	1330.0

Chemical Identifiers

CAS Number	52247-86-6
SMILES	CC1(C2CCC3(C(C2(CCC1OC(=O)C4CCCCC4C(=O)O)C)C(=O)C=C5C3(CCC6(C5CC(CC6)(C)C(=O)O)C)C)C)C
InChIKey	IPIHZIYZLLMCRF-UHFFFAOYSA-N